3-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzoic acid

Systemtic Name: 3-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzoic acid Openeye Name: 3-[(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzoic acid CAS Name: 3-[(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzoic acid Traditional Name: 3-[(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzoic acid Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C14H12N4O3/c1-17-12-11(6-16-17)13(19)18(8-15-12)7-9-3-2-4-10(5-9)14(20)21/h2-6,8H,7H2,1H3,(H,20,21)